MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02234973

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
DOT	3'ANTHRANILOYL-2'-DEOXY-ADENOSINE- 5'-TRIPHOSPHATE	A,B,C,D,E,F	1LVC	0.72
DZF	5-DEAZAFOLIC ACID	A,B	2DHF	0.71
DZF	5-DEAZAFOLIC ACID	A,B	1DYH	0.71
DZF	5-DEAZAFOLIC ACID	A,B,C,D	1CDE	0.71
PLB	2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID	A,D	3DZU	0.75
PLB	2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID	B	2Q6S	0.75
PLB	2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID	X	1WM0	0.75
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.82
S91	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID	A	2Z8C	0.73
S91	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID	A	2Z7L	0.73
FBL	(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN- 2-OL	A	1H01	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.7
QQ2	[(2-CHLORO-5-METHYLPHENYL){6-[(4- {[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO]ACETONITRILE	A,B,C,D	2IW6	0.71
NXX		A,B,C,D	3DLA	0.71
NXX		A,B,C	2QTR	0.71
48B	2-chloro-N-[4-({5-fluoro-2-[(4- hydroxyphenyl)amino]pyrimidin-4- yl}amino)phenyl]benzamide	A	3H0Y	0.72
L1C	(2R,4S)-N^1^-(4-chlorophenyl)-4- (2,4-difluorophenyl)-4-hydroxy- N^2^-(2-oxo-2H-1,3'-bipyridin-6'- yl)pyrrolidine-1,2-dicarboxamide	A	2W3I	0.7
MNT	2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE- 5'-DIPHOSPHATE	A	1LVK	0.72
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.71
BI9	2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE	A	2JKK	0.73
859	2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE	A,B	2NO3	0.74
FAL	(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN- 2-OL	A	1H01	0.71
7X8	3-({4-[(5-CHLORO-1,3-BENZODIOXOL- 4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE	A	2VX1	0.7
00A	5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine	X	3CW8	0.7
ONA		A,C	2GVZ	0.73
P16	6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE	A	2FO0	0.73
P16	6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE	A	1OPK	0.73
P16	6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE	A,B	1OPL	0.73
P16	6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE	A,B	2G2H	0.73
PVB	PURVALANOL	A	1CKP	0.74
PVB	PURVALANOL	A,B	1V0P	0.74
7CS	(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE	A	2QHM	0.73
24X		H,L	2EC9	0.72
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B,C,D,E,F	1KQO	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B	2H29	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B	1NUQ	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A	1WXG	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B,C,D,E,F	1KAQ	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B	1EE1	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B,C,D	3E27	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A	1XQD	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B	2H2A	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B	1IFX	0.71
DND	NICOTINIC ACID ADENINE DINUCLEOTIDE	A,B	1XNG	0.71
368	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE	A	1ZLR	0.83
LIC	3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA	A	2GHM	0.71
ONM	3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE- 5'-TRIPHOSPHATE	A,C	1TL7	0.71
ONM	3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE- 5'-TRIPHOSPHATE	A,C	1U0H	0.71
1FR	3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4- c]pyridin-3-yl)phenyl]propan-1- ol	A	3DB8	0.72
608	N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide	A,B	2P2I	0.73